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Phosgeniminium Chloride
CAS: 33842-02-3 | C3H6Cl3N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
33842-02-3
Molecular Formula:
C3H6Cl3N
Molecular Mass:
162.45 g/mol
Names and Synonyms:
Phosgeniminium Chloride
Methanaminium, dichlorodimethyl-, chloride (1:1)
Methanaminium, N-(dichloromethylene)-N-methyl-, chloride
Ammonium, (dichloromethylene)dimethyl-, chloride
(Dichloromethylene)dimethylammonium chloride
Dimethylphosgeniminium chloride
Viehe's salt
N-(Dichloromethylene)-N-methylmethanaminium chloride
Phosgeniminium chloride
(Dichloromethylene)dimethyliminium chloride
(Dichloromethylidene)dimethylazanium chloride
Identifiers:
SMILES:
CN(C)C(Cl)=[Cl+].[Cl-]
InChI:
InChI=1S/C3H6Cl2N.ClH/c1-6(2)3(4)5;/h1-2H3;1H/q+1;/p-1
Key Properties
Melting Point
185 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 162.45 g/mol | CAS Common Chemistry |
| 162.447 g/mol | RDKit | |
| 160.956582232 g/mol | RDKit | |
| Canonical SMILES | [Cl-].ClC(Cl)=[N+](C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H6Cl2N.ClH/c1-6(2)3(4)5;/h1-2H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=NRNFKRFWZQQDMD-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 185 °C | CAS Common Chemistry |
| Name | Phosgeniminium chloride | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | -2.572499999999999 | RDKit |
| Molar Refractivity | 24.54699999999999 | RDKit |
